SCHEMBL17595348

SCHEMBL17595348

O=C1CCC2CCCC1N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
MT-CO2 P00403 2/20 0.43
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
OPRK1 P41145 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6949097 0.91 SIGMAR1 (0.49) SIGMAR1L3MBTL1MT-CO2ALOX5ALDH1A1
SCHEMBL31045767 0.88 SIGMAR1 (0.44) SIGMAR1KMT2AL3MBTL1LMNAMT-CO2
SCHEMBL21308106 0.88 SIGMAR1 (0.44) SIGMAR1KMT2AL3MBTL1LMNAMT-CO2
SCHEMBL1631416 0.88 KMT2A (0.46) SIGMAR1KMT2AL3MBTL1LMNAMT-CO2
SCHEMBL4870895 0.80 CHRM2 (0.60) SIGMAR1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL5728905 0.78 CHRM2 (0.58) SIGMAR1KMT2AL3MBTL1LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL8187341 0.78 CHRM2 (0.58) SIGMAR1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL1723411 0.78 CHRM2 (0.58) SIGMAR1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL911191 0.78 KMT2A (0.51) SIGMAR1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL12902953 0.78 KMT2A (0.51) SIGMAR1KMT2AL3MBTL1LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191492-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-3191492-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
US-10150766-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-11 US disclosed
US-20170342066-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-30 US disclosed
US-20170342066-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-30 US disclosed
US-20170342066-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-30 US disclosed
EP-3191492-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
WO-2016039977-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10150766-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 SIGMAR1 956/4885KMT2A 4518/4885L3MBTL1 4865/4885
US-20170342066-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 SIGMAR1 956/4885KMT2A 4518/4885L3MBTL1 4865/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.